Geometry & MOs

Info

ID:	278122
PubChem CID:	103833576
Reduced:	FNS2O4C13H16 (1)
Stoich.:	ABC2D4E13F16 (1)
Weight, g/mol:	319.088972
ΔH_f, kcal/mol:	-188.54
Dipole, Da:	4.15
IP(EA), eV:	-8.64(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-fluoro-2-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C=C1)F)S(=O)(=O)NC2CCSCC2

DOS

IR

Vibrations